5-tert-Butyl-2-methyl-benzenesulfonyl Chloride
TL;DR: 5-tert-Butyl-2-methyl-benzenesulfonyl Chloride (CAS 917561-98-9) is a chemical compound with molecular formula C11H15ClO2S and molecular weight 246.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-tert-butyl-2-methylbenzenesulfonyl chloride
Also Known As: 5-tert-Butyl-2-methyl-benzenesulfonyl chloride, 5-tert-butyl-2-methylbenzenesulfonyl chloride, 5-tert-butyl-2-methylbenzene-1-sulfonyl chloride, 5-(tert-Butyl)-2-methylbenzene-1-sulfonyl chloride, Benzenesulfonylchloride,5- -2-methyl-
| Molecular Formula | C11H15ClO2S |
|---|---|
| Molecular Weight | 246.05 g/mol |
| LogP | 3.22002 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 246.04813 |
| Heavy Atoms | 15 |
| Complexity | 469.85156 |
Chemical Identifiers
| CAS Number | 917561-98-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)Cl |
Product Overview
5-tert-Butyl-2-methyl-benzenesulfonyl Chloride (CAS 917561-98-9), with molecular formula C11H15ClO2S and molecular weight 246.05 g/mol. IUPAC: 5-tert-butyl-2-methylbenzenesulfonyl chloride.
Chemical Property Profile of 5-tert-Butyl-2-methyl-benzenesulfonyl Chloride
Property Insights of 5-tert-Butyl-2-methyl-benzenesulfonyl Chloride
The XLogP value of 3.22002 indicates that 5-tert-Butyl-2-methyl-benzenesulfonyl Chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.14 Ų, 5-tert-Butyl-2-methyl-benzenesulfonyl Chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-tert-Butyl-2-methyl-benzenesulfonyl Chloride has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-tert-Butyl-2-methyl-benzenesulfonyl Chloride?
The CAS number of 5-tert-Butyl-2-methyl-benzenesulfonyl Chloride is 917561-98-9.
What is the molecular formula of 5-tert-Butyl-2-methyl-benzenesulfonyl Chloride?
The molecular formula of 5-tert-Butyl-2-methyl-benzenesulfonyl Chloride is C11H15ClO2S.
What is the molecular weight of 5-tert-Butyl-2-methyl-benzenesulfonyl Chloride?
The molecular weight of 5-tert-Butyl-2-methyl-benzenesulfonyl Chloride is 246.05 g/mol.
Where can I buy 5-tert-Butyl-2-methyl-benzenesulfonyl Chloride?
You can request a quote for 5-tert-Butyl-2-methyl-benzenesulfonyl Chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-tert-Butyl-2-methyl-benzenesulfonyl Chloride?
Yes, KEHONG BIO provides custom synthesis services for 5-tert-Butyl-2-methyl-benzenesulfonyl Chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.